4-methylsulfinylpyridazine

C5H6N2OS — CID 119088395

IUPAC4-methylsulfinylpyridazine
SMILESCS(=O)c1ccnnc1
InChIInChI=1S/C5H6N2OS/c1-9(8)5-2-3-6-7-4-5/h2-4H,1H3
InChIKeyKZZDWICMVDBTPG-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.21
Rot. Bonds1

About 4-methylsulfinylpyridazine

4-methylsulfinylpyridazine (PubChem CID 119088395) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 4-methylsulfinylpyridazine.

Molecular Properties

Compound Name4-methylsulfinylpyridazine
PubChem CID119088395
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name4-methylsulfinylpyridazine
SMILESCS(=O)c1ccnnc1
InChIInChI=1S/C5H6N2OS/c1-9(8)5-2-3-6-7-4-5/h2-4H,1H3
InChIKeyKZZDWICMVDBTPG-UHFFFAOYSA-N
XLogP0.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinylpyridazine?
The IUPAC name of 4-methylsulfinylpyridazine (CID 119088395) is 4-methylsulfinylpyridazine.
What is the SMILES notation for 4-methylsulfinylpyridazine?
The canonical SMILES for 4-methylsulfinylpyridazine is CS(=O)c1ccnnc1.
What is the InChIKey of 4-methylsulfinylpyridazine?
The InChIKey is KZZDWICMVDBTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-9(8)5-2-3-6-7-4-5/h2-4H,1H3.
What are the key properties of 4-methylsulfinylpyridazine?
4-methylsulfinylpyridazine has a molecular weight of 142.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinylpyridazine is sourced from PubChem (CID 119088395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).